Course: UG-Core

Approval: 28 Lectures + 14 Tutorials

Credit: 3

Outcome:

• The basics of atomic and molecular structure; introduction to spectroscopy
• Thermodynamics of different chemical processes
• Kinetics of chemical reactions

Prerequisite:
No prerequisites

Syllabus:

1. Thermodynamics and Chemical equilibrium: Laws of thermodynamics; Thermochemistry; Joule-Thomson Effect; Entropy, Helmholtz and Gibbs free energies, Maxwell Relations, Partial molar quantities, Chemical potential, Gibbs-Duhem equation. Equilibrium constant and its relation with free energy changes, Variation of chemical equilibrium constant with temperature and pressure, van’t Hoff equation, Applications of Gibbs-Helmholtz equation. [8]
2. Elementary Chemical Kinetics: Rate laws for first, second and third order reactions, Reversible, parallel and consecutive reactions, Steady state approximation, Enzyme kinetics (Michaelis-Menten equation). [4]
3. Rate Theories and Dynamics: Temperature dependence of the rates of chemical reactions, Collision theory, Qualitative concepts of transition state theory, Introduction to reaction dynamics. [5]
4. Atomic and Molecular Structure: Introduction to quantum mechanics: Particle in a box, Atomic structure: Hydrogen atom, concept of atomic orbitals and wave functions, Many electron atoms, Spin and Pauli principle. Molecules: Bonding in homo and heteronuclear diatomic molecules. [5]
5. Spectroscopy: Interaction of light with matter, Electronic spectroscopy, BeerLambert's law, Fluorescence, Phosphorescence, Rotation and vibrational spectroscopy, Introduction to Nuclear Magnetic Resonance (NMR), Application of spectroscopy to Biomolecules. [6]

Reference Book

1. Physical Chemistry, I. Levine, Tata Mcgraw Hill, 5th Edn.,
2. Physical Chemistry: A Molecular Approach, D. A. McQuarrie and J. D. Simon, University Science Books,
3. Physical Chemistry, G. M. Barrow, Mcgraw Hill, 5th Edn.,
4. Chemical Kinetics, K. J. Laidler, 3rd Edn., Harper and Row, 1987.

Course: UG-Core

Approval: 28 Lectures + 14 Tutorials

Credit: 3

Outcome:

• Apply the fundamental principles of measurement, matter, atomic theory, chemical periodicity, chemical bonding, general chemical reactivity and solution chemistry to subsequent courses in Science, Engineering and Technology
• Students will be able to explain why Chemistry is an integral activity for addressing social, economic, and environmental problems
• Students will be able to explore new areas of research in both Chemistry and allied fields of Science and Technology after understanding the basic concepts in Chemistry

Prerequisite:
No prerequisites

Syllabus:

1. Structure of simple inorganic molecules; VSEPR theory; Coordination complexes; Brief description of VBT, CFT and MO theory; Distortion in octahedral complexes. [6]
2. Organometallic chemistry; Metal carbonyls; Metal nitrosyls; 18 electron rule; Ferrocene and its basic reactions; Catalysis of organometallic complexes; Hydrogenation and other industrially important reactions. [6]
3. Chemistry of biological systems; Haemoglobin, Myoglobin and Heme containing systems. [2]
4. Structure of organic molecules (Lewis structures, acid-Base, HSAB principles, Hybridization, Resonance, Hyper- conjugation, Aromaticity, Functional groups, Nomenclature, Isomerism). [7]
5. Conformational analysis of acyclic and cyclic systems; Molecular chirality; Cohn- Ingold-Prelog R-S notational system; Optical activity; Chiral induction; Importance of chirality in chemical biology. [7]

Reference Book

1. S. H. Pine, Organic Chemistry, 5th Edn. Tata Mcgraw Hill Book Co.,
2. T. W. G. Solomons, C. B. Fryhle, Organic Chemistry, 8th Edn. Wiley,
3. T. W. G. Solomons, C. B. Fryhle, R. G. Johnson, Study guide and Solutions Manual to accompany: Organic Chemistry, 8th Edn. John Wiley & Sons,
4. J. Karty, The Nuts and Bolts of Organic Chemistry: A Student’s Guide to Success, Pearson,
5. R. J. Morrison and R. N. Boyd, Organic Chemistry, 6th Edn. Prentice Hall,
6. J. E. Huheey, E.A. Keiter, R. L. Keiter, O. K. Medhi, Inorganic Chemistry: Principles of Structure and Reactivity, 4th Edn. Pearson,
7. P. Atkins, T. Overton, J. Rourke, M. Weller, F. Armstrong, Shriver & Atkins Inorganic Chemistry, 4th Edn. Oxford,
8. B. D. Gupta, A. J. Elias, Basic Organometallic Chemistry: Concepts, Syntheses and Applications, Universities press, 2010.

Course: UG-Core

Approval: 56

Credit: 2

Outcome:

• Demonstrate analytical skills in measuring, interpreting, and analyzing experimental data.
• Develop laboratory skills in synthesis, titration, and extraction techniques.
• Apply problem-solving abilities to chemical kinetics and thermodynamic studies.
• Gain proficiency in using modern analytical instruments like spectrophotometers and pH meter

Prerequisite:
No Prerequisites

Syllabus:

1. Determination of the heat of solution of oxalic acid by measuring its solubility at various temperatures.
2. Determination of the rate constant for the acid-catalyzed hydrolysis of methyl acetate.
3. Study of the kinetics of the iodide-hydrogen peroxide clock reaction.
4. Determination of the concentration of an unknown solution using turbidimetry.
5. pH-metric titration of a weak acid against a strong base.
6. Verification of Beer-Lambert's law.
7. Spectrophotometric analysis of caffeine and/or benzoic acid in soft drinks.
8. Synthesis of hexamine nickel (II) chloride.
9. Preparation of potash alum.
10. Synthesis of aspirin.
11. Synthesis of methyl orange.
12. Cyanotype blueprinting.
13. Estimation of calcium in milk powder using EDTA complexometry.
14. Extraction of caffeine from tea leaves.
15. Element detection and characterization of organic compounds.

Reference Book

1. The Systematic Identification of Organic Compounds, R. L. Shriner, C. K. F. Hermann, T. C. Morrill, D.
2. Curtin and R. C. Fuson, John Wiley, 8th Edn.,
3. Practical Organic Chemistry, A. I. Vogel, ELBS,
4. Laboratory Manual in Organic Chemistry, R. K. Bansal, Wiley Eastern,
5. Comprehensive Practical Organic Chemistry: Qualitative analysis, V. K. Ahluwalia and S. Dhingra, Universities Press (India) Ltd,
6. A Collection of General Chemistry Experiments, A. J. Elias, Universities Press,
7. Experimental Physical Chemistry, R. C. Das and B. Behera, Tata Mcgraw Hill,
8. Practical Physical Chemistry, A. Findlay and J. A. Kitchener, 8th Edn., Longmans, 1967.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• To understand basic facts and concepts in Chemistry while retaining the exciting aspects of Chemistry so as to develop interest in the study of Chemistry as a discipline.
• To develop the ability to apply the principles of Chemistry.
• To appreciate the achievements in Chemistry and to know the role of Chemistry in nature and in society.
• To develop problem solving skills.
• To be familiarized with the emerging areas of Chemistry and their applications in various spheres of Chemical Sciences and to apprise the students of its relevance in future studies.
• To be exposed to the different processes used in industries and their applications.

Prerequisite:
No prerequisites

Syllabus:

1. Basic Solid-State Chemistry: The ionic bond, Lattice Energy, Size effects, Covalent character in predominantly ionic bonds, Structures of complex solids, Imperfections in Crystals, Conductivity in ionic solids, Solids held together by Covalent bonding. [6]
2. Molecular Structure and Chemical Forces: Molecular symmetry, Point groups and introduction to Character Tables; Types of chemical forces: Covalent bonding, Hydrogen bonding, Effects of chemical forces. [4]
3. Basic Main Group Chemistry: First and second row anomalies, Use of p orbitals in π-bonding, Use (or not) of d orbitals by non-metals, Reactivity of d-orbital participation, Periodic anomalies of the non-metals and post-transition metals, Chains catenation, Rings, Cages, Boron cage compounds. [8]
4. Coordination Chemistry: Structure, Isomerism, Stability, Reactions, Kinetics and Mechanisms: Coordination number 1 - 8, Higher coordination number, Types of isomerism, Thermodynamic stability, Chelate Effect, Substitution reactions in Square planar complexes, Thermodynamic and Kinetic stability, Kinetics of Octahedral substitution and Mechanisms of redox reactions. [7]
5. Oxidation and Reduction: Reduction potentials; Redox half reactions; Trends in standard potentials, Electrochemical series, the Nernst equation, Redox stability in water; Representation of electrode potential data diagrammatically. Latimer–Frost Diagrams, Chemical extraction of elements through oxidation, reduction and electrochemical extraction. [7]
6. Introduction to f-block Elements: Special features of f-block elements, Lanthanide contraction, Coordination number, structures, and simple reactions. [3]
7. Nuclear Chemistry: Nuclear reactions and their characteristics, Radioactivity, Detecting and measuring radioactivity, Radioactive decay rates, Nuclear stability, Energy changes during nuclear reactions, Nuclear fission and fusion, Nuclear transmutation, Biological effects of radiation; Some applications of nuclear Chemistry: Dating with radioisotopes, Medical uses therapeutic and imaging procedures. [7]

Reference Book

1. Inorganic Chemistry - Principles of Structure and Reactivity, J. E. Huheey, E. A. Keiter, R. L. Keiterand, O. K. Medhi, Pearson Education, 2007.
2. Concise Inorganic Chemistry, J. D. Lee, 4th Edn., ELBS, 1991.
3. Advanced Inorganic Chemistry, F. A. Cotton, C. A. Murillo, and M. Bochmann, Wiley Inter Science, 2001.
4. Inorganic Chemistry, D. F. Shriver and P. W. Atkins, Oxford University, 1999.
5. Molecular Symmetry and Group Theory: A Programmed Introduction to Chemical Applications, A. Vincent, John Wiley, 2001.
6. [REF] Chemistry of the Elements, N. N. Greenwood and A. Earnshaw, 2nd Edn., Elsevier, 2005.
7. [REF] Chemistry, J. McMurry, R. C. Fay, 4th Edn., Pearson Education, 2005.
8. [REF] Group Theory and Chemistry, D. M. Bishop, Dover Publications, New York, 1973.
9. [REF] Chemical Applications of Group Theory, F. A. Cotton, John Wiley and Sons, 2003.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Design the chemical reactions based on various metals and non-metal reagents.
• Application of the reagents in organic synthesis.
• Design the synthesis of unknown target molecules.

Prerequisite:
No prerequisites

Syllabus:

1. Chemistry of Carbonyl Groups: Nucleophilic addition to Carbonyl groups; Nucleophilic substitution at Carbonyl groups and with complete removal of Carbonyl oxygen; Carbanions and Enolisation; Building organic molecules from Carbonyl compounds (well-known Name Reactions); Nitrogen, Phosphorus and Sulfur Ylides; Michael addition. [20]
2. Oxidation Reactions: Transition metal-based oxidation reagents; DMSO-based oxidation reactions; Other oxidation reagents; Oxidation of functional groups; Oxidative cleavage of C=C bonds and glycols; Ozonolysis; Barton Reaction; Oxidations at unfunctionalized C-H Bonds. [7]
3. Reduction Reactions: Reduction of Carbonyl groups: Conformational effects; Stereochemistry of hydride reduction reactions – Aluminium hydride and Borohydride reducing agents; Hydride reductions of functional groups; Dissolving metal reductions; Other reduction methods; Corey-Bakshi-Shibaki reduction. [8]
4. Retrosynthesis: Principles and applications; Target-oriented and diversity-oriented organic synthesis; Selected examples. [7]

Reference Book

1. Advanced Organic Chemistry Part B: Structure and Mechanisms; F. A. Carey, R. J. Sundberg; 5th Edn., Springer, 2007.
2. Organic Mechanisms: Reactions, Stereochemistry and Synthesis; R. Bruckner; Springer, 2010.
3. Organic Chemistry; J. Clayden, N. Greeves, S. Warren, P. Wothers; Oxford University press, 2001.
4. March’s advanced Organic Chemistry; M. B. Smith, J. March; 6th Edn., Wiley-VCH, 2007.
5. The Logic of Chemical Synthesis; E. J. Corey, X.-M. Cheng; Wiley-Interscience, 1995.
6. The Way of Synthesis: Evolution of Design and Methods for natural products; T. Hudlicky, J. W. Reed; Wiley-VCH, 2007.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Introduction of basic organic reactions (Substitutions, Additions & Eliminations) and writing organic reaction mechanisms.
• Reactivity of unsaturated hydrocarbons (alkene, alkyne and aromatics).
• Understanding the role of substitutions to influence the rate of reactions.
• Stereochemistry in organic chemistry: Chemoselectivity, Diastereoselectivity, Enantioselectivity, Stereospecificity, Stereoconvergence.
• Introduction of asymmetric synthesis with and without asymmetric catalysts.

Prerequisite:
No prerequisites

Syllabus:

1. Structural effects on Stability and Reactivity: Thermodynamic Stability; Chemical Kinetics; Thermodynamic Stability vs Reaction Rates; Electronic Substituent Effects on Reaction intermediates; Kinetic Isotope Effects; Linear Free-Energy relationships for substituent effects; Catalysis; Solvent effects; Highly strained molecules. [6]
2. Nucleophilic Substitution Reactions: Nucleophiles, Electrophiles and Leaving groups; Mechanisms for nucleophilic substitution; Kinetic and stereochemical analysis; Substituent effects on reactivity; SN2 Reaction vs SN1 Reaction; Neighboring group participation; SNi Reactions; Preparative useful SN2 Reactions; Carbocationic rearrangements. [10]
3. Addition Reactions: The Concept of cis- and trans-addition; Electrophilic addition of alkenes; Selected examples – Hydrohalogenation, Halogenations, Hydration, Epoxidation, Dihydroxylation, Sulfenylation, Halolactonization, Metal ions, Hydroboration, Cyclopropanation; Electrophilic addition of alkynes and allenes; Vocabulary of Chemoselectivity, Diastereoselectivity, Enantioselectivity, Stereospecificity, Stereoconvergence; Asymmetric Catalysis – Sharpless Oxidations of allylic alcohols and dihydroxylation; Noyori hydrogenation. [9]
4. Elimination Reactions: Concepts of elimination reactions; Mechanism of E2, E1 and E-CB reactions; Regioselectivity and Stereoselectivity of elimination reactions; The competition between elimination and nucleophilic substitution reactions; Substrate effects, Base effects, Stereoelectronic Effect; Heck Reaction, Carbene, Nitrene. [9]
5. Aromatic Substitution: Aromaticity; Annulenes; Electrophilic aromatic substitution reactions; Substituent effects on reactivity; Nucleophilic aromatic substitution; Ortho metallation; Cross-coupling reactions. [8]

Reference Book

1. Advanced Organic Chemistry Part A and B: Structure and Mechanisms; F. A. Carey, R. J. Sundberg, 5th Edn., Springer, 2007.
2. Organic Mechanisms: Reactions, Stereochemistry and Synthesis; R. Bruckner, Springer, 2010.
3. Organic Chemistry; J. Clayden, N. Greeves, S. Warren, P. Wothers; Oxford University Press, 2001.
4. March's Advanced Organic Chemistry; M. B. Smith, J. March; 6th Edn., Wiley-VCH, 2007.
5. Modern Physical Organic Chemistry; E. V. Anslyn, D. A. Dougherty; California University Science Books, 2006.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Learn the characterization of organometallic compounds.
• Learn the synthesis, structure and application of organometallics of Li, Mg, B, Al and Si elements.
• Understand the synthesis, structure and bonding aspects of selected examples of unusual main group compounds.
• Organometallics of transition metal Chemistry and its application in catalysis.

Prerequisite:
No prerequisites

Syllabus:

1. Basic Characterization techniques of main-group and organometallic compounds (NMR, Mass, IR). [5]
2. Representative chemistry of main group elements: [14] ~ Organometallic chemistry of lithium and magnesium: synthesis, Structures and reactivity ~ Chemistry of Boron: Boranes, bonding in Boranes, Topology of Boranes, synthesis and reactivity, Carboranes and metallacarboranes. New Lewis acids based on Boron; Polymer- supported Lewis acids. ~ Chemistry of Aluminum: Aluminum alkyls. Use of aluminum alkyls in polymerization of olefins. ~ C60 and Carbon nanotubes: discovery, preparation and selected reactions. ~ Chemistry of Silicon: Organosilicon compounds, Silicates and aluminosilicates.
3. Unusual compounds of main group elements: [6] ~ Chemistry of multiple bonding: Multiple bonding in heavier main-group elements. Unusual compound of main group elements: Si=Si, Si≡Si, P=P double bond, Bi=Bi double bond. Synthesis, structure and reactivity; Controversies. ~ Chemistry of low valent compounds: Synthesis, structure and bonding models and reactivity examples of Al (i), Si (ii) low valent compounds. ~ Low oxidation state main group metal hydrides: synthesis and reactivity studies. ~ Inorganic rings and polymers. Cyclo and hetero cyclophosphazenes and the polymers derived from them. Polysilanes. Borazine and Boron Nitride. ~ Chemistry of halogens and noble gases – recent trends. CFCs and ozone layer.
4. Organometallic Chemistry: [17] ~ σ-bonded ligands: Metal alkyls, aryls and hydrides. Stability, Preparation and reactivity. ~ Metal-carbonyls / Metal-phosphines / Metalnitrosyls / Metal iso-cyanide: Structures, reactivity and bonding. Metalcarbenes, Metal-carbynes, Fischer carbenes, Schrock carbenes, N-heterocyclic carbenes, Olefin metathesis. ~ π-bonded ligands: Metal-olefins, Metal alkynes, Metal-dienes, Metal-Cp Metal-Cp* complexes: Synthesis, structure, bonding and reactivity. ~ Applications of organometallics in organic synthesis: C–C bond coupling reactions (Heck, Sonogoshira, Suzuki etc.). C–N bond coupling reactions. Reduction reactions using transition metal hydrides; Asymmetric hydrogenation.

Reference Book

1. Organometallics: A Concise Introduction, C. Elschenbroich and A. Salzer, 3rd Edn. 1999.
2. Chemistry of the Elements, N. N. Greenwood and A. Earnshaw, 2nd Edn., Elsevier, 2005.
3. Modern Inorganic Chemistry, W. L. Jolly, Mcgraw Hill, New York, 2nd Edn., 1991.
4. Concepts and Models of Inorganic Chemistry, B. Douglas, D. McDaniel and J. Alexander, John Wiley, New York, 3rd Edn., 1993.
5. Organometallic Chemistry of the Transition Metals, R. H. Crabtree, Wiley, New York, 1988.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Introduce the standard mathematical techniques that are typically used by Chemists.
• To learn how to apply mathematics in Chemical Research.
• To learn how to use Fourier transforms in Spectroscopy.
• The course, mostly differential equations, is useful to learn Quantum Chemistry and Chemical Kinetics.

Prerequisite:
No prerequisites

Syllabus:

1. Matrix Algebra: Matrices, Determinants, Matrix rank, Orthogonal and unitary transformations, Eigenvalues and eigenvectors, Diagonalization of matrices, Spectral theorem, and few applications. [6]
2. Vectors and Tensors: Introduction to vectors; Vector operations; Coordinate system transformation; Covariant and contravariant vector components and few applications; Vector spaces, Inner products, Linear independence, Bases; Brief introduction to tensors, Tensor algebra. [9]
3. Ordinary Differential Equations: Linear first and second order ODEs, Homogeneous and inhomogeneous ODEs with constant coefficients, System of linear ODEs, Power series solution of differential equations and special functions. [12]
4. Fourier Series and Integral Transforms: Fourier series and transform, properties and theorems, Multi-dimensional FT, Complex FT, Discrete and digital FT and few applications. Brief introduction to Laplace transform, Inverse Laplace transform, convergence of Laplace integral and few applications. [9]
5. Data and Error Analysis: Interpolation and extrapolation, Errors in physical systems, Random errors in measurements, Uncertainties as probabilities, Error propagation, Normal distribution, Curve fitting. [6]

Reference Book

1. Maths for Chemists: G. Doggett, M. Cockett, E. Abel: RSC (Tutorial Chemistry Texts), 2012.
2. Basic Mathematics for Chemists: P. Tebbutt: Wiley-Blackwell, 1998.
3. Mathematical Methods in the Physical Sciences: M. L. Boas, Wiley, 2005.
4. A student’s guide to vectors and tensors, D. Fleisch, Cambridge Univ. Press, 2008.
5. [REF] Measurements and their uncertainties, I. G. Hughes and Thomas P. A. Hase, Oxford Univ. Press, 2010.
6. [REF] Mathematical Methods for Physicists: Arfken and Weber, Elsevier Academic Press, 2005.
7. [REF] The Fourier transform and its applications, 3rd Edn, R. N. Bracewell, McGraw Hill Intl. Edn.,2000.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Understanding the laws of Thermodynamics and phase equilibrium of multicomponent systems
• Understanding the thermodynamics of surfaces and different adsorption isotherms of gases on solids
• Key concepts for Electrochemistry and its applications.
• Concepts of Statistical Thermodynamics.

Prerequisite:
No prerequisites

Syllabus:

1. Recap: Review of thermodynamics and chemical equilibrium. Phase equilibrium: Multicomponent systems, Ideal solution, Vapor–liquid equilibrium, Raoult’s law, Henry’s law, colligative properties. [7]
2. Surfaces: Thermodynamics of surfaces and interfaces, Surface tension, Vapour pressure; Surface films on liquids, Gibb’s adsorption equation; Adsorption of gases on solids: Freundlich, Langmuir and BET adsorption isotherms; Determination of surface areas; Colloids. [7]
3. Electrochemistry: Arrehnius theory of electrolytic dissociation, Conductance of electrolytes in solutions, Debye-Huckel theory of electrolytes; Ionic strength principle, Activities of ions and activity coefficients, Debye–Huckel–Onsager theory of electrolytic conductance, Ion association in electrolytic solution. [10]
4. Electrochemical Cells and Electromotive Force (EMF), Thermodynamics of cell reactions, Applications of EMF measurements: Equilibrium constant, Thermodynamic parameters, Potentiometric titrations; Basic principles of ion-selective membrane electrodes, Batteries, Bioelectrochemistry. [8]
5. Statistical Thermodynamics: The Canonical Ensemble, Canonical Partition Function for a System of Noninteracting Particles, Canonical Partition Function of a Pure Ideal Gas, The Boltzmann Distribution Law for Non-interacting Molecules, Statistical Thermodynamics of Ideal Monatomic and Diatomic Gases, Statistical Thermodynamics of Ideal Polyatomic Gases, Equilibrium Constants, Entropy and the Third Law of Thermodynamics. [10]

Reference Book

1. Physical Chemistry, I. Levine, Tata McGraw Hill, 5th Edn., 2007.
2. Physical Chemistry of Surfaces, A. W. Adamson and A. P. Gast, John Wiley and Sons, Inc., 1997.
3. Modern Electrochemistry, J. O. M. Bockris and A. K. N. Reddy, Springer, 2006.
4. Physical Chemistry, R. S. Berry, S. A. Rice and J. Ross, Oxford Univ. Press, 2nd Edn., 2000.
5. Physical Chemistry, P. W. Atkins and J. de Paula, W. H Freeman and Company, 9th Edn., 2010.

Course: UG-Core

Approval: 112

Credit: 4

Outcome:

• Concepts used in inorganic experiments
• Laboratory procedures to perform inorganic experiments
• Laboratory safety
• Learn synthesis, purification, extraction and recrystallization techniques along with various techniques for characterization viz. IR, UV-Vis Spectroscopy, CV (cyclic voltammetry), and magnetic susceptibilities.
• Learn preparation and use of the ion exchange column, which is used in the pharmaceutical Industry.
• Able to clearly communicate the results of scientific work in oral, written and electronic formats to both scientists and the public at large.

Prerequisite:
No Prerequisites

Syllabus:

1. Inorganic (Carbon-Free) Chelate rings: A Dithioimidodiphosphinato ligand and some of its metal complexes.
2. Synthesis of [Ti(urea)6]I3: An air-stable d1 Complex.
3. Synthesis, Electrochemistry and Luminescence of [Ru(bpy)3]2+
4. Synthesis and Electrochemistry of Ferrocene and its Derivatives.
5. Standardisation of sodium thiosulphate solution and volumetric estimation of Cu (II) iodometrically.
6. Volumetric estimation of Zn (II), Ca (II) and Mg (II) by EDTA titration, using Eriochrome black-T indicator.
7. Gravimetric estimation of nickel (II), using dimethylglyoxime.
8. Estimation of: (a) total manganese content in manganese ore (pyrolusite); (b) total iron content in Fe2O3 (haematite).
9. Study of the composition of ferric-sulfosalicylic acid complex by Job's method of continuous variation, and to determine the stability of the complex, spectrophotometrically.
10. Determination of the composition of a binary mixture (potassium Dichromate and potassium permanganate) using spectrophotometry.
11. Synthesis of 3,5-dimethyl pyrazole.
12. Solid phase synthesis of trans-bis glycinato copper(II) complex.
13. (a) Synthesis of Fe(salen)Cl complexes; (b) Elucidation of Redox behavior of Fe(III) and (c) Elucidation of magnetic properties.
14. (a) Synthesis of meso tetratolyl porphyrin from pyrrole and p-tolualdehyde and (b) Synthesis and characterization of zinc-porphyrin (meso-tetratolyl porphyrin) complex.
15. Separation of the chromium complexes by using ion exchange column.
16. Preparation and determination of the effective magnetic moment and number of unpaired electrons in Mn(acac)
17. Preparation and determination of the aquation rate of [Co(NH₃)₅Cl]Cl₂.
18. Friedel-Craft acylation of ferrocene.

Reference Book

1. Vogels Textbook of Qualitative Chemical Analysis, G. H. Jeffery, J. Bassett, J. Mendham and R. C. Denny, 5th Edn., ELBS,
2. Handbook of Preparative Inorganic Chemistry, Vol. i & ii (edited by G. Brauer), Academic Press,
3. Experimental Electrochemistry for Chemists, D. T. Sawyer and J. L. Roberts, Jr., John Wiley & Sons, New York,
4. Vogels Textbook of Quantitative Chemical Analysis, G. H. Jeffery, J. Bessett, J. Medham and R. C. Denny, 5th Edn., ELBS, 1999.

Course: UG-Core

Approval: 112

Credit: 4

Outcome:

• Develop analytical skills for quantifying and characterizing chemical and biological compounds using chromatography, spectroscopic, and biochemical techniques.
• Master synthetic organic chemistry techniques, including classical name reactions, multi-step synthesis, and rearrangement reactions.
• Gain proficiency in advanced laboratory techniques, such as protection-deprotection strategies, esterification, and solvent preparation.
• Apply modern instrumental methods (IR, NMR, UV-Vis) for the identification and characterization of organic compounds.
• Demonstrate problem-solving and critical-thinking skills in designing and executing multi-step syntheses and chemical transformations.
• Explore heterocyclic and biologically active compound synthesis, including coumarins, indoles, and caprolactam.
• Conduct multi-component and industrially relevant reactions for efficient synthesis of complex molecules.

Prerequisite:
No Prerequisites

Syllabus:

1. Determination of strength of acid in lemon juice.
2. Estimation of carbohydrates by anthrone method
3. Determination of isoelectric point of glycine.
4. Paper and column chromatography of plant pigments: Extraction and separation of Chlorophyll A and Chlorophyll B.
5. Separation of organic compounds from a mixture of compounds using the techniques of solvent extraction, preparative TLC and column chromatography and identification of the individual components by spectroscopic techniques (IR, NMR, UV-ViS), preparation of dry solvents.
6. Synthesis of the following compounds using name reactions:
   (a) Diels-alder reaction of anthracene and Maleic anhydride
   (b) Synthesis of Cinnamic acid from Benzaldehyde (perkin reaction)
   (c) Synthesis of Triphenyl Carbinol (Grignard Reaction)
   (d) Synthesis of 2-hydroxy-5-methyl benzophenone (Fries rearrangement)
   (e) Synthesis of Benzilic acid from Benzil (Benzil-Benzilic acid rearrangement)
   (f) Synthesis of p-methoxycinnamic acid (Knoevenagel reaction).
7. Synthesis of 2-phenylindole from acetophenone phenylhydrazone (Fischer-indole synthesis).
8. Protection and deprotection technique: Synthesis of a ketal of cyclohexanone with ethylene glycol and regeneration of the ketone from the intermediate.
9. Esterification of p-methoxycinnamic acid.
10. Phenylacetylene from cinnamic acid (via dibromocinnamic acid and phenylpropiolic acid).
11. Friedel Crafts Reaction and Wolff Kishner Reduction: 4-phenylbutyric acid from benzene (via–benzoylpropionic acid, and reduction of the carbonyl group employing hydrazine hydrate).
12. 3-Hydroxycoumarin from glycine (via hippuric acid).
13. Synthesis of Benzoimidazole,
14. Synthesis of Caprolactam using Beckmann rearrangement.
15. Synthesis of Bisnaphthol.
16. Synthesis of 3,4-dihydropyrimidin-2(1H)-ones using Biginelli reaction, a multi-component chemical reaction.

Reference Book

1. Intermediates for Organic Synthesis, V. K. Ahluwalia, P. Bhagat, R. Aggarwal, R. Chandra, I. K. International, New Delhi,
2. Practical Heterocyclic Chemistry, A. O. Fitton and R. K. Smalley, Academic Press, London,
3. Vogel's Textbook of Quantitative Chemical Analysis, G. H. Jeffery, J. Bassett, J. Mendham, and R. C. Denny, 5th Edition, ELBS,
4. Spectrometric Identification of Organic Compounds, R. M. Silverstein, G. C. Bassler, and T. C. Morrill, 6th Edition, Wiley,
5. A Collection of Interesting General Chemistry Experiments Anil J. Elias, Universities Press,
6. Laboratory Manual of Organic Chemistry, B. B. Dey and M. V. Sitaraman, Allied Publishers,
7. Laboratory Manual of Organic Chemistry, R. K. Bansal, New Age International Publishers, 2006.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Understanding the Woodward–Hoffmann Rules and Molecular Orbitals and their application in stereoselective organic synthesis.
• Photoinduced chemical reactions.
• Radical initiated processes and radical intermediates in chemical reactions

Prerequisite:
CHE202

Syllabus:

1. Stereoelectronic Effects: Anomeric & related effects; Acetals, Esters, Amides and related functions; Reactions at sp3, sp2, and sp Carbons; Examples in synthesis and biological processes; Felkin–Ahn Model, Houk Model, Cieplak Model, EFOE Model, and Cation-complexation model as applied to π–Facial Selectivity; Baldwin’s Rule. [10]
2. Pericyclic Reactions: The nature of pericyclic Reactions; The Woodward-Hoffmann Rules and Molecular Orbitals; Cycloaddition reactions; Electrocyclic Reactions; Sigmatropic Rearrangements- [1,2], [1,3], [1,5], [2,3] and [3,3]; Cheletropic Reactions; Cope Rearrangements; Claisen Rearrangements; Enantioselective Pericyclic Reactions. [16]
3. Photochemistry: Electronic Configurations – Multiplicity, S0, S1, T1; Electronic Transitions – π to π*, n to π*; Selection Rules and Solvent Effect on π to π*, n to π* transitions; Photochemistry of Olefins, Dienes and Carbonyl Compounds; Chemistry of Vision. [10]
4. Radical Reactions: Generation and Characterization of Free Radicals; Nucleophilic and Electrophilic Radicals; Substitution Reactions; Addition Reactions; Radical Coupling; Barton Reaction. [6]

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Importance of Crystal Field Theory and Molecular Orbital Theory with various inorganic complexes.
• Learn the concept of magnetism and also to know about single molecular magnet
• Understanding the inner and outer sphere reaction mechanisms.
• Role of metal ions in bioinorganic chemistry
• Understand the basic concepts of supramolecular chemistry

Prerequisite:
CHE201

Syllabus:

1. Theories of bonding: CFT including Jahn-Teller Effects of ligand field, Spectrochemical series, Enthalpies of hydration, Spinel structures. Shortcomings of CFT. MO theory of coordination complexes. Electronic Spectra of complexes including Orgel diagrams and Tanabe Sugano diagrams. [10]
2. Magnetism: Introduction to Magnetism. Origin of diamagnetism. Paramagnetism: Van Vleck formula and its approximated forms, Curie law. Magnetic susceptibility, Orbital quenching and spin-only moment; Magnetic exchange interactions in coordination compounds: Ferrimagnetism and Antiferromagnetism; Bulk magnetic properties and ferromagnetism; Molecule-based magnetic materials: Organic magnets and single molecule magnets. [10]
3. Mechanisms of reactions of transition metal complexes: Substitution (Kinetic effects: labile vs inert) and electron-transfer reactions (Outer-sphere, Self-exchange; Inner-sphere). [7]
4. Bioinorganic Chemistry: Basic principles (why specific metal ions are present in certain proteins/enzymes): Heme proteins, types, structure and function (including mechanism of function): Hemoglobin, myoglobin, Cytochrome C, Cytochrome p450, Catalases, peroxidases. non-Heme proteins: Hemerythrin, Ribonucleotide reductase, Methanol monooxygenase (a) Iron-Sulfur proteins: Rubredoxin, Ferredoxin; (b) DNA / RNA: Ribozymes. [10]
5. Transition metal based supramolecular structures: Ligand design and applications. [5]

Reference Book

1. Advanced inorganic Chemistry, F. A. Cotton, C. A. Murillo, and M. Bochmann, Wiley Interscience,
2. Inorganic Chemistry, D. F. Shriver and P. W. Atkins, Oxford University Press,
3. Supramolecular Chemistry: Concepts and Perspectives, J. M. Lehn, VCH,
4. Principles of Bioinorganic Chemistry, S. J. Lippard and J. M. Berg, Panima Publications, New Delhi,
5. Bioinorganic Chemistry; Inorganic Elements in the Chemistry of Life. Kaim, B. Schwederski Wiley,
6. Biological Inorganic Chemistry: Structure and Reactivity Harry B. Gray, E. I. Stiefel, J. S. Valentine, I. Bertini University Science Book;
7. Reaction Mechanism of Inorganic and Organometallic Systems, R. B. Jordan, 2nd Edn., Oxford University press,
8. [REF] Bioinorganic Chemistry, A. K. Das, Allied Books, Kolkata,
9. [REF] Molecular Symmetry and Group Theory: A programmed Introduction to Chemical Applications, A. Vincent, John Wiley,
10. [REF] Mechanism of Inorganic Reactions, F. Basolo and R. G. Pearson, 2nd Edn. Wiley,
11. [REF] Inorganic Reaction Mechanisms, M. L. Tobe and J. Burgess, 1st Edn., Wesley Longmans Ltd.
12. [REF] Inorganic Chemistry- Principles of Structure and Reactivity, J. E. Huheey, E. A. Keiter, R. L. Keiter and O. Medhi, Pearson Education, 2007.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Understand the basics of absorption and fluorescence spectroscopy.
• Theoretical prediction of absorption maximum of some organic molecules.
• Identifying and distinguishing various types of electronic transition using solvent perturbation techniques.
• Understanding the concept of micro polarity and the importance of this parameter in spectroscopy.
• Understanding some important photo-processes such as electron transfer and energy transfer and their applications in energy related applications.
• Applications of fluorescence spectroscopy in detecting various analytes (sensing applications).

Prerequisite:
No Prerequisites

Syllabus:

1. General Introduction to Spectroscopy: Electromagnetic radiation and its interaction with atoms and molecules. Holistic view of spectroscopy. [2]
2. Ultraviolet Spectroscopy: Electronic Transition; Definitions of related terms and designation of UV–absorption band; Studies of conjugated and extended conjugated systems; Woodward–Fieser rules; Analytical use of UV–spectroscopy. [8]
3. Infrared and Raman Spectroscopy: Molecular Vibrations, Instrumentation of IR and Raman spectroscopic techniques; Interpretation of Infrared and Raman spectra, Identification of functional groups, Hydrogen bonding, Complexity of IR spectra, Utility of IR spectroscopy in structural elucidation. Raman spectroscopy in material science; SERS. [8]
4. Fluorescence Spectroscopy: Phenomena of fluorescence; Photochemical laws; General characteristics; Quantum yield and its measurements; Radiation less transitions; Spin states and their interconversion; Kasha's rule and solvent effect; Spin orbit coupling; Energy transfer processes; Donor acceptor complexes, Excimers and Exiplexes. Fluorescence quenching (static and dynamic); Stern Volmer analysis; Timescale of molecular processes in solution. Steady-state and time resolved fluorescence. Fluorescence anisotropy; Biochemical fluorophores; New fluorescence technologies:Multiphoton Excitation, Fluorescence correlation Spectroscopy, Single molecule detection. [12]
5. Photoelectron Spectroscopy: Experimental methods, Ionisation processes and Koopmans theorem; Photoelectron spectra and their interpretation and applications. [6]
6. Mass Spectrometry: Basic concepts; Instrumentation, Fragmentation and rearrangements (including McLafferty rearrangement) of different classes of organic molecules; Isotope effects. [6]

Reference Book

1. Modern Spectroscopy J. M. Hollas. Wiley, 2004.
2. Physical Methods in Chemistry, R. S. Drago, 2nd Edn., Saunders, 1992.
3. Essentials of Photochemistry, A. Gilbert and J. Baggot, Blackwell Scientific Publications, 1992.
4. Fundamentals of Photochemistry, K. K. Rohatgi Mukherjee, Wiley Eastern Ltd., 1978.
5. Molecular Fluorescence, Bernard Valeur, Wiley-VCH, 2002.
6. Principles of Molecular Photochemistry: An Introduction, P. Walsh, N. J. Turro, V. Ramamurthy, J. C. Scaiano, University Science Books, 2008.
7. Principles of Fluorescence Spectroscopy. Joseph R. Lakowicz, 3rd Edn., Springer, 2006.
8. Interpretation of Mass Spectra, F. W. McLafferty, 1980.
9. Spectrometric Identification of Organic Compounds, R. M. Silverstein, G. C. Bassler and T. C. Morrill, John Wiley, New York, 5th Ed., 1991.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Understand the fundamentals of Group Theory and apply it to molecular spectroscopy.
• Understand the link between molecular spectroscopy, symmetry and information content of molecular spectra.
• Understanding the formation of molecular orbitals.
• Calculate/predict energy levels and spectral features using symmetry as a simplification tool.
• Use symmetry arguments to possibly solve molecular problems.
• Understand the fundamentals of rotational, vibrational and electronic spectroscopy. Calculation of some useful parameters from spectral data.

Prerequisite:
CHE305

Syllabus:

1. Group Theory: Symmetry elements, Symmetry operations, Point groups, Symmetry representations; Applications of symmetry to Molecular Orbital diagrams of simple molecules (examples: H2O, BeH2, BF3(σ + π)); Definition of a group and basic theorems, Molecular symmetry groups and classes, Great Orthogonality Theorem; Matrix representation of groups, Irreducible representations and Character Tables, Symmetry properties of wave functions, Orbitals as basis sets for irreducible representations, Symmetry adapted linear combinations, Assignment of symmetry representations of d-orbitals for specific geometries. [12]
2. Introduction to Spectroscopy: Interaction of light with matter, Transition moments and transition probabilities, Einstein's coefficients, Oscillator strength. [2]
3. Diatomic Molecules:
   • Electronic Spectra: Born-Oppenheimer approximation, Potential energy curves of diatomic molecules, Frank-Condon principle, Electronic transitions in homonuclear and heteronuclear diatomics. [4]
   • Microwave and Infrared Spectroscopy: Simple harmonic oscillator and Rigid Rotor Model, Rotational spectra of diatomic molecules, Stark effect, Vibrational spectra of diatomic molecules, Anharmonic correction, Selection rules, Fundamental and Overtone bands, Isotope effects, Vibrational Rotational coupling. [6]
4. Polyatomic Molecules:
   • Electronic Spectra: Electronic structure, Electronic spectra of polyatomic molecules - linear conjugated molecules, Aromatic molecules, Transition metal compounds, Fluorescence, Phosphorescence, Internal conversion and Charge transfer. [9]
   • Rotational, Vibrational and Electronic Spectroscopy of polyatomic Molecules: Symmetric and asymmetric top molecules, Normal modes of vibration and their classification by group theory, Coupling between rotational and vibrational degrees of freedom. Symmetry and normal modes of vibration. Rovibrational spectra, Concept of anisotropic polarizability and Raman spectra. [9]

Reference Book

1. Chemical Applications of Group Theory, F.A. Cotton, John Wiley, 3rd Edn.,
2. Symmetry and Spectroscopy: An Introduction to Vibrational and Electronic Spectroscopy, D. C. Harris and M. D. Bertolucci, Dover,
3. Fundamentals of Molecular Spectroscopy, C. N. Banwell and E. M. McCash, Tata Mcgraw Hill,
4. Molecular Spectroscopy, G. M. Barrow, Mcgraw Hill,
5. Spectra of atoms and Molecules, P. F. Bernath, Oxford Univ. press,
6. Modern Spectroscopy, J. M. Hollas, John Wiley, 4th Edn.,
7. Molecular Symmetry and Group Theory, R. L. Carter, John Wiley and Sons, 1998.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Basic understanding of the principles of quantum mechanics
• Knowledge of solutions to the Schrödinger equation for model systems
• Application of approximation methods in solving the Schrödinger equation
• Understanding of molecular orbital theory and valence bond theory

Prerequisite:
No Prerequisites

Syllabus:

1. Introduction to quantum mechanics: Postulates of quantum mechanics, de Broglie Hypothesis, Uncertainty Principle, The Time-Independent Schrödinger Equation, Interpretation of wave function, Probability density, Mathematical background – vectors, matrices, and operators. [8]
2. Simple applications of quantum theory: Particle in a One-Dimensional Box, Particle in a Three-Dimensional Box, Degeneracy, One-Dimensional Harmonic Oscillator, Two-Particle Rigid Rotor, The Hydrogen Atom, Angular Momentum. [12]
3. Approximation Methods: Variational and perturbation methods. [4]
4. Atomic Structure: Electron Spin, Helium Atom and the Spin–Statistics Theorem, Total Orbital and Spin Angular Momenta, Many-Electron Atoms, Atomic Terms. [6]
5. Molecular Electronic Structure: Born–Oppenheimer Approximation, Hydrogen Molecule Ion, Simple Molecular Orbital Method for Diatomic Molecules, Molecular Terms for diatomics, Valence-Bond Method. [8]
6. Hückel Molecular Orbital theory and Introduction to Hartree method. [4]

Reference Book

1. N. Levine, Quantum Chemistry, Prentice-Hall of India, 2006.
2. P. W. Atkins and R. S. Friedmann, Molecular Quantum Mechanics, Oxford, 2008.
3. D. A. McQuarrie and J. D. Simon, Physical Chemistry – A Molecular Approach, Viva Books, New Delhi, 1998.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• To learn instrument techniques such as NMR and EPR.
• To interpret the data obtained from these techniques.
• To understand various aspects involved in NMR, EPR, ENDOR and Mossbauer.
• To find out the radical nature of the materials.

Prerequisite:
No Prerequisites

Syllabus:

1. Nuclear Magnetic Resonance Spectroscopy: Basic principles, Chemical shifts, Spin-spin interactions; Application of 1H and 13C NMR spectroscopy including NOE, COSY, NOESY, and other 2D techniques in the structure determination of bioorganic compounds; Application in conformational analysis. Multinuclear (31P, 19F, 29Si) NMR of various inorganic and organometallic compounds. Instrumental aspects; NMR of paramagnetic sample: Contact shifts and pseudo contact shifts, Shift reagents; Pulsed NMR: Modern multiple-pulsed experiments including 2D NMR. [20]
2. Electron Spin Resonance Spectroscopy (ESR): A brief review of theory; Analysis of ESR spectra of systems in liquid phase; Radicals containing single set; Multiple sets of protons; Triplet ground states: Transition metal ions; Fe, Cu, Mo, Cr, Mn, VO2+ containing systems: g values; Symmetry; The practical interpretation of ESR spectra in solid state and solution states; Multiple electron systems; Triplet ground state, Zerofield splitting, Kramers degeneracy, Spectral line-shapes when D « hν, D ∼hν and D » hν. EPR of photoexcited triplet states. [8]
3. Double resonance Techniques (ENDOR): ENDOR in liquid solution, ENDOR in powders and non-oriented solids; ENDOR spectra of free-radicals coupled to multiple sets of nuclei with spin; ENDOR of paramagnetic metals and complexes; Biological Applications: Substrate free radical; Flavins and metal free flavin proteins; Photosynthesis; Heme proteins; Iron–Sulfur proteins; Spin labels. [7]
4. Mossbauer Spectroscopy: Basic physical concepts; Spectral line shape; Isomer shift; Quadrupole splitting, Magnetic hyperfine interaction; Interpretation of Mossbauer parameters of 57Fe, 99Ru, 101Ru, 195Pt, 193Ir, and 110Sn; Some special applications: Solid state reactions; Thermal decomposition, Ligand exchange, Electron transfer, Isomerism, Surface studies and biological applications. [7]

Reference Book

1. NMR Spectroscopy: Basic principles, Concepts and Applications in Chemistry, H. Gunther, 2nd Edn. John Wiley & Sons,
2. Spectrometric Identification of Organic Compounds, R. M. Silverstein, G. C. Bassler and T. C. Morrill, John Wiley, New York, 5th Edn.,
3. Basic 1H and 13C NMR Spectroscopy, M. Balci, Elsevier Science,
4. Electron paramagnetic Resonance: Elementary Theory and practical applications, J. A. Weil, J. R. Bolton and J. E. Wertz, Wiley Interscience, New York,
5. Physical Methods in Chemistry, R. S. Drago, 2nd Edn., Saunders,
6. Mossbauer Spectroscopy: An Introduction for Inorganic Chemists and Geochemists, Mcgraw Hill, UK,
7. Mossbauer Spectroscopy, N. N. Greenwood and T. C. Gibb, Chapman & Hall,
8. Electron Spin Resonance: Elementary Theory and Practical Applications, J. E. Wertz and J. R. Bolton, Mcgraw Hill, 1984.

Course: UG-Core

Approval: 112

Credit: 4

Outcome:

• Develop analytical skills in spectrophotometry for determining physical constants like pKa and studying pH-dependent properties.
• Understand reaction kinetics and mechanisms through experimental studies of chemical processes.
• Investigate thermodynamic and equilibrium properties using methods such as partitioning, phase diagrams, and adsorption studies.
• Gain proficiency in advanced instrumental techniques like FT-IR, fluorescence spectroscopy, and potentiometric titrations for molecular analysis.
• Explore molecular interactions and properties through fluorescence studies, including quenching and solvatochromic effects.
• Apply photochemistry and quantum mechanics concepts to calculate quantum yields and analyze photochromic behavior.
• Study multi-component systems and isothermal behavior using experimental techniques.

Prerequisite:
No Prerequisites

Syllabus:

1. Study of the pH dependence of UV-Visible spectrum of 4-nitrophenol/methyl orange and determination of its pK by spectrophotometric method.
2. Study of the kinetics of inversion of cane sugar, catalyzed by acid, polarimetrically.
3. Study of the dimerization of benzoic acid by partition method.
4. Adsorption of acetic acid on activated charcoal, and verification of Freundlich / Langmuir adsorption isotherm.
5. Verification of Beer–Lambert’s Law and determination of the dissociation constant (pKa) of methyl red, spectrophotometrically.
6. Study of the phase diagram of a two-component system (diphenylaminebenzophenone) with congruent melting point.
7. Determination of the isotherm for a three-component system (diphenylamine-acetic acid-water).
8. Determination of glass transition temperature of hydrated calcium nitrate, conductometrically.
9. Estimation of halides in a mixture of halides by potentiometric titrations.
10. Study of the Solvent Effects on the fluorescence of fluorescein and other fluorescent molecules.
11. Study of the kinetics of the iodide - hydrogen peroxide clock reaction.
12. Study of the photochromic and kinetic behaviour of a nitrospiropyran derivative.
13. Determination of the bond lengths of diatomic and triatomic molecules and Functional group determination of small molecules using the FT-IR spectrometer.
14. Quantum Yield Calculation for anthracene.
15. Fluorescence Quenching by KI.
16. Solvatochromic study of a Donor acceptor system.
17. Static and Dynamic Fluorescence quenching and verification of the Stern-Volmer relationship.

Reference Book

1. Experimental Physical Chemistry, R. C. Das and B. Behera, Tata McGraw-Hill,
2. A Collection of Interesting General Chemistry Experiments, A. J. Elias, Universities Press,
3. Experimental Physical Chemistry, V. D. Athawale and P. Mathur, New Age International Publishers,
4. Experimental Physical Chemistry: A Laboratory Textbook, A. M. Halpern, Prentice Hall, 2nd Edition,
5. Practical Physical Chemistry, A. Findlay and J. A. Kitchener, 8th Edition, Longmans, 1967.

Course: UG-Core

Approval: 112

Credit: 4

Outcome:

• Understanding the concepts of energy minimization, frequency calculations and transition state optimization
• Practical experience in applications of quantum chemical calculations
• Understanding of molecular dynamics and Monte-Carlo simulations using simple examples

Prerequisite:
No Prerequisites

Syllabus:

1. Calculation of kinetic Isotope effects in chemical reactions using DFT methods.
2. Simulated vibrational, rovibrational and rotational Raman Spectra for diatomic molecules using spreadsheet. Example: HCl, N2
3. Simulation of electronic spectra of simple molecules using CIS and TDDFT methods. Example: butadiene, hexatriene, and octatetraene
4. Calculation of the first few eigenfunctions and eigenvalues of 1 dimensional harmonic and Morse oscillators using numerical methods such as the Numerov method. The Numerov method can be done using a spreadsheet or computer code.
5. Calculation of the potential energy function for umbrella motion in ammonia using HF or DFT methods and fitting the energy data to an analytical form.
6. Calculation of the first few eigenfunctions and eigenvalues for the double well potential developed in Lab 5 using Numerov method and hence the computation of tunnelling splitting in ammonia.
7. Study of the relationship between HOMO–LUMO energy gaps, energy barriers and rate constants in Diels-Alder reactions using DFT methods.
8. Study of the vibrational spectra of protonated water clusters (dimer, trimer etc) and compare them with the experimental results such as Johnson’s work. (Science, 299, 1375 (2003)).
9. Activation energy, forward and backward rate constant and equilibrium constant for isomerization reactions to introduce Arrhenius equation and Eyring equation. 10.Study of thermodynamic properties of Lennard–Jones fluids from molecular dynamics simulations.
10. Application of Monte-Carlo simulations – Estimation of the value of π.

Reference Book

1. T. Engel and P. Reid, Physical Chemistry, Pearson,
2. N. Levine, Quantum Chemistry, Prentice-Hall of India,
3. P. W. Atkins and R. S. Friedmann, Molecular Quantum Mechanics, Oxford,
4. D. A. McQuarrie and J. D. Simon, Physical Chemistry – A Molecular Approach, Viva Books, New Delhi, 1998.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Understanding nomenclature, structure and reactivity of aromatic and non-aromatic heterocycles.
• Understanding the design and application of various organic reactions for the synthesis of natural products.
• Understanding the classification, structure and synthesis of biomolecules.

Prerequisite:
CHE202

Syllabus:

1. Chemistry of Heterocycles: Introduction and application of Heterocycles; Nomenclature of aromatic and non-aromatic Heterocycles; Synthesis and reactivity of 5&6-membered aromatic Heterocycles with One or Two hetero atoms. [18]
2. Chemistry of Natural Products: Introduction and application of Carbohydrates; Steroids, Terpenoids, Fatty Lipids, Prostaglandins and alkaloids; Total synthesis of selected natural products. [24]

Reference Book

1. Heterocyclic Chemistry; J. A. Joule, K. Mills; 5th Edn., Blackwell,
2. The Chemistry of Heterocycles; T. Eicher, S. Hauptmann; 2nd Edn., Wiley-VCH,
3. Chemistry of Biomolecules: An Introduction; R. J. Simmonds; RSC,
4. Organic Chemistry; I. L. Finar; Vol. II, ELBS,
5. Chemistry of Natural Products; S. V. Bhat, B.A. Nagasampagi, M. Sivakumar; Springer,
6. The Logic of Chemical Synthesis; E. J. Corey, X.-M. Cheng; Wiley-Interscience,
7. The Way of Synthesis: Evolution of Design and Methods for Natural Products; T. Hudlicky, J. W. Reed; Wiley–VCH, 2007.

Course: UG-Core

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

• Students can learn varieties of chemical reactions and the time scale of those reactions.
• Describes different spectroscopy and analytical techniques to study chemical kinetics.
• Introduces enzyme kinetics.
• It is a useful course for chemistry and biology students to learn about chemical and biological reactions.

Prerequisite:
CHE305

Syllabus:

1. Kinetic Measurements: General features of fast reactions; Study of fast reactions by flow techniques, Relaxation methods (T-Jump, P-Jump, ultrasonic, pulse radiolysis, NMR); Flash photolysis; Salt and solvent effects on reactions in solutions. [6]
2. Chain Reactions: Features of chain reactions; Thermal and photochemical reactions (hydrogen–bromine reaction, decomposition of aldehydes and ketones). [6]
3. Kinetics of oscillatory reactions: Introduction to oscillatory reactions; BelousovZhabotinsky and Field-Koros-Noyes models. [4]
4. Rate Theory: Concept of potential energy surfaces, Transition state theory including its statistical mechanical treatment, Phenomenological theories of unimolecular reactions (Lindemann, Hinshelwood), Statistical mechanical theories of unimolecular reactions (RRKM). [10]
5. Chemical Dynamics: Collision theory and Reaction Dynamics, Reaction Cross section and rate constant, Brief idea of Molecular Beam Scattering, Dynamics in condensed phase. [10]
6. Femtochemistry: Concepts and perspectives; Applications to studies of dynamics and control of chemical reactions. [6]

Reference Book

1. Physical Chemistry, I. Levine, Tata Mcgraw Hill, 5th Edn.,
2. Physical Chemistry: A Molecular approach, D. a. McQuarrie and J. D. Simon, University Science Books,
3. Chemical Kinetics and Dynamics, J. I. Steinfeld, J. S. Francisco and W. L. Hase, Prentice Hall,
4. Chemical Dynamics in Condensed Phases: Relaxation, Transfer and Reactions in Condensed Molecular Systems, A. Nitzan, Oxford Univ. Press,
5. [REF] Basic Chemical Kinetics, H. Eyring, S. H. Lin and S. M. Lin, John Wiley & Sons, New York,
6. [REF] The World of Physical Chemistry, K. J. Laidler, Oxford University press, 1993.